CID 543695

Aziridine, compd with 2,4,5-trichlorophenyl acrylate

Structural Information

Molecular Formula
C9H5Cl3O2
SMILES
C=CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl3O2/c1-2-9(13)14-8-4-6(11)5(10)3-7(8)12/h2-4H,1H2
InChIKey
WPRNUAVQZCFEOA-UHFFFAOYSA-N
Compound name
(2,4,5-trichlorophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

249.93552 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94280 143.4
[M+Na]+ 272.92474 154.9
[M-H]- 248.92824 146.1
[M+NH4]+ 267.96934 162.4
[M+K]+ 288.89868 149.0
[M+H-H2O]+ 232.93278 140.8
[M+HCOO]- 294.93372 152.7
[M+CH3COO]- 308.94937 191.2
[M+Na-2H]- 270.91019 146.2
[M]+ 249.93497 148.2
[M]- 249.93607 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe